AD02205
68746-25-8 | 2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AD02205
ChemicalName
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CasNumber
68746-25-8
MolecularFormula
C13H20N2OS
MolecularWeight
252.3757
MdlNumber
MFCD01114966
Smiles
NC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
3.5
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CatalogNumber: AD02205
ChemicalName: 2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CasNumber: 68746-25-8
MolecularFormula: C13H20N2OS
MolecularWeight: 252.3757
MdlNumber: MFCD01114966
Smiles: NC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.5
CatalogNumber:
AD02205
ChemicalName:
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CasNumber:
68746-25-8
MolecularFormula:
C13H20N2OS
MolecularWeight:
252.3757
MdlNumber:
MFCD01114966
Smiles:
NC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.5
CatalogNumber: __
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MolecularWeight: __
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Smiles: Cn1c(=S)[nH]nc1c1cccs1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
Cn1c(=S)[nH]nc1c1cccs1
Complexity:
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__
HydrogenBondAcceptorCount:
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__
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Smiles: CC(=C)CCC=C(C)C=C
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Smiles:
CC(=C)CCC=C(C)C=C
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HydrogenBondDonorCount:
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Smiles: Nc1nc(=O)c2c([nH]1)n(cn2)[C@H]1CC[C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(=O)c2c([nH]1)n(cn2)[C@H]1CC[C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__